5-[(E)-2-[3-(aminomethyl)-4-hydrazinylcyclohexa-1,3-dien-1-yl]prop-1-enyl]-2,3-dihydro-1H-pyrrol-4-amine

C14H23N5 — CID 139454349

IUPAC5-[(E)-2-[3-(aminomethyl)-4-hydrazinylcyclohexa-1,3-dien-1-yl]prop-1-enyl]-2,3-dihydro-1H-pyrrol-4-amine
SMILESC/C(=C\C1=C(N)CCN1)C1=CC(CN)=C(NN)CC1
InChIInChI=1S/C14H23N5/c1-9(6-14-12(16)4-5-18-14)10-2-3-13(19-17)11(7-10)8-15/h6-7,18-19H,2-5,8,15-17H2,1H3/b9-6+
InChIKeyUSAKYWIYHDIKJL-RMKNXTFCSA-N
MW261.37 g/mol
LogP0.49
Rot. Bonds4

About 5-[(E)-2-[3-(aminomethyl)-4-hydrazinylcyclohexa-1,3-dien-1-yl]prop-1-enyl]-2,3-dihydro-1H-pyrrol-4-amine

5-[(E)-2-[3-(aminomethyl)-4-hydrazinylcyclohexa-1,3-dien-1-yl]prop-1-enyl]-2,3-dihydro-1H-pyrrol-4-amine (PubChem CID 139454349) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-[(E)-2-[3-(aminomethyl)-4-hydrazinylcyclohexa-1,3-dien-1-yl]prop-1-enyl]-2,3-dihydro-1H-pyrrol-4-amine.

Molecular Properties

Compound Name5-[(E)-2-[3-(aminomethyl)-4-hydrazinylcyclohexa-1,3-dien-1-yl]prop-1-enyl]-2,3-dihydro-1H-pyrrol-4-amine
PubChem CID139454349
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name5-[(E)-2-[3-(aminomethyl)-4-hydrazinylcyclohexa-1,3-dien-1-yl]prop-1-enyl]-2,3-dihydro-1H-pyrrol-4-amine
SMILESC/C(=C\C1=C(N)CCN1)C1=CC(CN)=C(NN)CC1
InChIInChI=1S/C14H23N5/c1-9(6-14-12(16)4-5-18-14)10-2-3-13(19-17)11(7-10)8-15/h6-7,18-19H,2-5,8,15-17H2,1H3/b9-6+
InChIKeyUSAKYWIYHDIKJL-RMKNXTFCSA-N
XLogP0.49
TPSA102.12 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[3-(aminomethyl)-4-hydrazinylcyclohexa-1,3-dien-1-yl]prop-1-enyl]-2,3-dihydro-1H-pyrrol-4-amine?
The IUPAC name of 5-[(E)-2-[3-(aminomethyl)-4-hydrazinylcyclohexa-1,3-dien-1-yl]prop-1-enyl]-2,3-dihydro-1H-pyrrol-4-amine (CID 139454349) is 5-[(E)-2-[3-(aminomethyl)-4-hydrazinylcyclohexa-1,3-dien-1-yl]prop-1-enyl]-2,3-dihydro-1H-pyrrol-4-amine.
What is the SMILES notation for 5-[(E)-2-[3-(aminomethyl)-4-hydrazinylcyclohexa-1,3-dien-1-yl]prop-1-enyl]-2,3-dihydro-1H-pyrrol-4-amine?
The canonical SMILES for 5-[(E)-2-[3-(aminomethyl)-4-hydrazinylcyclohexa-1,3-dien-1-yl]prop-1-enyl]-2,3-dihydro-1H-pyrrol-4-amine is C/C(=C\C1=C(N)CCN1)C1=CC(CN)=C(NN)CC1.
What is the InChIKey of 5-[(E)-2-[3-(aminomethyl)-4-hydrazinylcyclohexa-1,3-dien-1-yl]prop-1-enyl]-2,3-dihydro-1H-pyrrol-4-amine?
The InChIKey is USAKYWIYHDIKJL-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H23N5/c1-9(6-14-12(16)4-5-18-14)10-2-3-13(19-17)11(7-10)8-15/h6-7,18-19H,2-5,8,15-17H2,1H3/b9-6+.
What are the key properties of 5-[(E)-2-[3-(aminomethyl)-4-hydrazinylcyclohexa-1,3-dien-1-yl]prop-1-enyl]-2,3-dihydro-1H-pyrrol-4-amine?
5-[(E)-2-[3-(aminomethyl)-4-hydrazinylcyclohexa-1,3-dien-1-yl]prop-1-enyl]-2,3-dihydro-1H-pyrrol-4-amine has a molecular weight of 261.37 g/mol, XLogP of 0.49, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[3-(aminomethyl)-4-hydrazinylcyclohexa-1,3-dien-1-yl]prop-1-enyl]-2,3-dihydro-1H-pyrrol-4-amine is sourced from PubChem (CID 139454349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).